(5-bromo-2-methyl-1H-pyridin-2-yl)boronic acid

C6H9BBrNO2 — CID 164897858

IUPAC(5-bromo-2-methyl-1H-pyridin-2-yl)boronic acid
SMILESCC1(B(O)O)C=CC(Br)=CN1
InChIInChI=1S/C6H9BBrNO2/c1-6(7(10)11)3-2-5(8)4-9-6/h2-4,9-11H,1H3
InChIKeyHNSHBPQATQLKQX-UHFFFAOYSA-N
MW217.86 g/mol
LogP0.15
Rot. Bonds1

About (5-bromo-2-methyl-1H-pyridin-2-yl)boronic acid

(5-bromo-2-methyl-1H-pyridin-2-yl)boronic acid (PubChem CID 164897858) has the molecular formula C6H9BBrNO2 and a molecular weight of 217.86 g/mol. Its IUPAC name is (5-bromo-2-methyl-1H-pyridin-2-yl)boronic acid.

Molecular Properties

Compound Name(5-bromo-2-methyl-1H-pyridin-2-yl)boronic acid
PubChem CID164897858
Molecular FormulaC6H9BBrNO2
Molecular Weight217.86 g/mol
Exact Mass216.99
IUPAC Name(5-bromo-2-methyl-1H-pyridin-2-yl)boronic acid
SMILESCC1(B(O)O)C=CC(Br)=CN1
InChIInChI=1S/C6H9BBrNO2/c1-6(7(10)11)3-2-5(8)4-9-6/h2-4,9-11H,1H3
InChIKeyHNSHBPQATQLKQX-UHFFFAOYSA-N
XLogP0.15
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.86
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methyl-1H-pyridin-2-yl)boronic acid?
The IUPAC name of (5-bromo-2-methyl-1H-pyridin-2-yl)boronic acid (CID 164897858) is (5-bromo-2-methyl-1H-pyridin-2-yl)boronic acid.
What is the SMILES notation for (5-bromo-2-methyl-1H-pyridin-2-yl)boronic acid?
The canonical SMILES for (5-bromo-2-methyl-1H-pyridin-2-yl)boronic acid is CC1(B(O)O)C=CC(Br)=CN1.
What is the InChIKey of (5-bromo-2-methyl-1H-pyridin-2-yl)boronic acid?
The InChIKey is HNSHBPQATQLKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BBrNO2/c1-6(7(10)11)3-2-5(8)4-9-6/h2-4,9-11H,1H3.
What are the key properties of (5-bromo-2-methyl-1H-pyridin-2-yl)boronic acid?
(5-bromo-2-methyl-1H-pyridin-2-yl)boronic acid has a molecular weight of 217.86 g/mol, XLogP of 0.15, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methyl-1H-pyridin-2-yl)boronic acid is sourced from PubChem (CID 164897858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).